REMARK Name = BDB033550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.245 0.462 0.017 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.146 0.517 0.045 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.560 -0.633 -0.609 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.926 -0.903 -0.771 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.862 0.009 -0.266 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.426 1.171 0.383 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.487 -1.361 -1.023 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.063 1.450 0.552 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.597 -0.718 -0.624 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.277 -0.246 -0.436 0.00 0.00 +0.047 A ATOM 11 C LIG 1 6.194 -0.337 0.589 0.00 0.00 +0.142 A ATOM 12 C LIG 1 6.127 -0.235 2.059 0.00 0.00 +0.090 C ATOM 13 O LIG 1 7.425 -0.588 0.067 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 7.337 -0.682 -1.308 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 6.046 -0.485 -1.606 0.00 0.00 +0.088 A ATOM 16 C LIG 1 5.598 -0.525 -3.018 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -1.995 -1.255 -0.876 0.00 0.00 +0.149 C ATOM 18 N LIG 1 -1.963 -2.732 -0.989 0.00 0.00 -0.252 N ATOM 19 C LIG 1 -1.574 -3.372 -2.179 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -1.056 -4.483 -2.238 0.00 0.00 -0.262 OA ATOM 21 S LIG 1 -2.017 -2.625 -3.709 0.00 0.00 -0.067 S ATOM 22 C LIG 1 -1.906 -0.879 -3.357 0.00 0.00 +0.081 C ATOM 23 C LIG 1 -2.650 -0.578 -2.078 0.00 0.00 +0.042 C BRANCH 18 24 ATOM 24 C LIG 1 -2.061 -3.522 0.224 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -2.473 -4.866 0.164 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -2.608 -5.629 1.323 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -3.017 -6.902 1.229 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -2.342 -5.076 2.565 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -2.477 -5.807 3.679 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -1.938 -3.753 2.661 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -1.804 -2.981 1.498 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -2.710 3.769 1.229 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -2.994 2.422 1.919 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -2.404 1.212 1.186 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -1.066 1.560 0.529 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -1.233 2.676 -0.522 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -2.444 3.576 -0.266 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -3.583 5.989 1.307 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -3.850 4.600 1.448 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5